Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5648900397
Compound
Show structures
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 10 USD | 98 | 8 working days | Get Quote |
| 5 mg | 10 USD | 98 | 8 working days | Get Quote |
| 10 mg | 10 USD | 98 | 8 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
MCULE-4288644381
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5648900397.sdf |
| SMILES | MCULE-5648900397.smiles |
| Standard InChI | MCULE-5648900397.inchi |
| InChIKey | MCULE-5648900397.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-610985007 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 15.6928 kg |
| P-489134236 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-579782729 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-580714651 | BLD pharm | In-stock building blocks | 98 | As is | 36.5 g |
| P-851284107 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868627627 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-862052164 | FluoroChem | General BB | N/A | As is | in stock |
| P-608121103 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-852485467 | Matrix Scientific | All | N/A | As is | in stock |
| P-854730726 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-888850384 | PharmaBlock | In stock | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 273.351 |
| logP | 2.9194 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 87.0 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 70.4844 |
| Atoms | 37 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 19 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
